SCHEMBL8748648

SCHEMBL8748648

COc1ccc(CCC(=O)C(=[N+]=[N-])C(=O)CCc2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.58
PLAAT3 P53816 1/20 0.52
PLAAT5 Q96KN8 1/20 0.52
PLAAT2 Q9NWW9 1/20 0.52
PLAAT4 Q9UL19 1/20 0.52
FFAR1 O14842 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
FKBP1A P62942 1/20 0.47
MAPT P10636 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8749091 0.83 F2RL1 (0.54) F2RL1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8748624 0.81 PLAAT3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL8749106 0.80 ALDH1A1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL9403974 0.78 PLAAT3 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7060208 0.78 F2RL1 (0.69) F2RL1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8748832 0.78 KEAP1 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7329940 0.77 F2RL1 (0.85) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL754363 0.76 PLAAT3 (0.45) F2RL1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL274471 0.75 FFAR1 (0.81) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL30792366 0.75 FFAR1 (0.81) F2RL1FFAR1ALDH1A1POLBNFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627006-A ALKENYLOXY-SUBSTITUTED POLYVINYLPHENOLS, PHOTOSENSITIVE ACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-06 US disclosed
EP-0552548-B1 Resist material WAKO PURE CHEM IND LTD (JP) 1997-03-19 EP disclosed
EP-0323050-B1 Photosensitive compound WAKO PURE CHEM IND LTD (JP) 1994-11-02 EP disclosed
US-5250669-A Thermostability, photoresists WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
EP-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed
EP-0323050-A2 Photosensitive compound WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1989-07-05 EP disclosed